SCHEMBL1785633

SCHEMBL1785633

CCOc1ccc(Cl)c(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
FADS1 O60427 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MCL1 Q07820 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15935983 0.85 TAS1R3 (0.54) TAS1R3TAS1R1KDM4ENPSR1GAA
SCHEMBL201318 0.83 THRB (0.55) LMNAMEN1KMT2AMAPT
SCHEMBL12432871 0.83 THRB (0.55) LMNAMEN1KMT2AMAPT
SCHEMBL5460863 0.82 SIRT2 (0.45) KDM4ENPSR1GAAFFAR1FFAR4
SCHEMBL27249089 0.81 PARP10 (0.56) PARP10KDM4EALDH1A1LMNAMEN1
SCHEMBL28045267 0.81 KDM4E (0.57) PARP10KDM4EALDH1A1LMNAHTT
SCHEMBL16962028 0.81 TAS1R3 (0.49) TAS1R3TAS1R1KDM4ENPSR1GAA
SCHEMBL2850887 0.81 CASP1 (0.55) PARP10KDM4ENPSR1ALDH1A1LMNA
SCHEMBL1786513 0.81 SIRT2 (0.42) PARP10KDM4ENPSR1ALDH1A1LMNA
SCHEMBL255650 0.80 PARP10 (0.54) PARP10KDM4EALDH1A1L3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PARP10 4140/4885TAS1R3 73/4885TAS1R1 42/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R PARP10 3605/4885TAS1R3 1629/4885TAS1R1 1191/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R PARP10 2107/4885TAS1R3 1062/4885TAS1R1 750/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R PARP10 4140/4885TAS1R3 73/4885TAS1R1 42/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.